SCHEMBL4618945

SCHEMBL4618945

N#Cc1ccc(C(=O)NCCC(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.78
CYP2C9 P11712 3/20 0.64
CYP2C19 P33261 2/20 0.64
CYP2J2 P51589 1/20 0.64
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
SIGMAR1 Q99720 2/20 0.56
TMEM97 Q5BJF2 1/20 0.56
TPSAB1 Q15661 1/20 0.56
CYP2D6 P10635 1/20 0.55
SLC6A9 P48067 1/20 0.55
SLC6A5 Q9Y345 1/20 0.55
MTNR1A P48039 1/20 0.53
MTNR1B P49286 1/20 0.53
CNR1 P21554 1/20 0.51
CNR2 P34972 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5947783 0.88 EPHX2 (0.77) EPHX2CYP2C9CYP2C19CYP2J2MEN1
SCHEMBL5948050 0.88 EPHX2 (1.00) EPHX2CYP2C9CYP2C19CYP2J2
SCHEMBL5947795 0.86 EPHX2 (0.74) EPHX2CYP2C9CYP2C19CYP2J2MEN1
SCHEMBL5947886 0.86 EPHX2 (0.63) EPHX2CYP2C9CYP2C19CYP2J2MEN1
SCHEMBL5948102 0.85 EPHX2 (1.00) EPHX2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL4638764 0.82 EPHX2 (0.87) EPHX2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL5947652 0.82 EPHX2 (0.81) EPHX2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL5947874 0.81 EPHX2 (0.79) EPHX2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL4618812 0.81 EPHX2 (0.79) EPHX2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL20787943 0.81 EPHX2 (0.63) EPHX2CYP2C9CYP2C19CYP2J2MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1885697-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHODS OF USING SAME BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-13 EP disclosed
US-20060276515-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-12-07 US disclosed
WO-2006121719-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHODS OF USING SAME BOEHRINGER INGELHEIM INTERNATIONAL, GMBH (DE) 2006-11-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060276515-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same EPHX1, EPHX2, NCEH1 EPHX2 2/4885CYP2C9 477/4885CYP2C19 1179/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.